Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 2/20 | 0.33 |
| ▸ | BIRC3 | Q13489 | 2/20 | 0.33 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19869351 | 0.85 | CYP3A4 (0.38) | ADRB3ADRA2BADRA2C | |
| SCHEMBL19870556 | 0.82 | BIRC3 (0.36) | XIAPBIRC3BIRC2CNR1CNR2 | |
| SCHEMBL18018723 | 0.73 | SMN1; SMN2 (0.39) | XIAPBIRC3BIRC2ADRB3ADRA2B | |
| SCHEMBL18018757 | 0.72 | KDM5A (0.36) | XIAPBIRC3BIRC2ADRB3ADRA2B | |
| SCHEMBL19235753 | 0.72 | CTSB (0.40) | ADRB3ADRA2BADRA2CCNR1 | |
| SCHEMBL12629378 | 0.72 | CYP3A4 (0.37) | ADRB3ADRA2BADRA2C | |
| SCHEMBL12629376 | 0.72 | CTSB (0.42) | XIAPBIRC3BIRC2ADRB3ADRA2B | |
| SCHEMBL14301824 | 0.72 | XIAP (0.32) | XIAPBIRC3BIRC2ADRB3ADRA2B | |
| SCHEMBL18018706 | 0.71 | CTSB (0.38) | XIAPBIRC3BIRC2ADRB3ADRA2B | |
| SCHEMBL13962141 | 0.71 | ADRB3 (0.39) | XIAPBIRC3BIRC2ADRB3ADRA2B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018028634-A1 | SALTS AS HCV INHIBITORS | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2018-02-15 | — | — | WO | disclosed |